3-imidazol-1-ylpropyl-[1-[4-[2-[(2S)-2-methoxycarbonylpyrrolidin-1-yl]-2-oxidanylidene-ethyl]phenyl]piperidin-4-yl]azanium

Systemtic Name: 3-imidazol-1-ylpropyl-[1-[4-[2-[(2S)-2-methoxycarbonylpyrrolidin-1-yl]-2-oxidanylidene-ethyl]phenyl]piperidin-4-yl]azanium Openeye Name: 3-imidazol-1-ylpropyl-[1-[4-[2-[(2S)-2-methoxycarbonylpyrrolidin-1-yl]-2-oxo-ethyl]phenyl]-4-piperidyl]ammonium CAS Name: 3-(1-imidazolyl)propyl-[1-[4-[2-[(2S)-2-methoxycarbonyl-1-pyrrolidinyl]-2-oxoethyl]phenyl]-4-piperidinyl]ammonium IUPAC Name: 3-imidazol-1-ylpropyl-[1-[4-[2-[(2S)-2-methoxycarbonylpyrrolidin-1-yl]-2-oxoethyl]phenyl]piperidin-4-yl]azanium Traditional Name: [1-[4-[2-[(2S)-2-carbomethoxypyrrolidino]-2-keto-ethyl]phenyl]-4-piperidyl]-(3-imidazol-1-ylpropyl)ammonium Formula: C25H36N5O3+ MolecularWeight: 454.58504

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCCN1C(=O)CC2=CC=C(C=C2)N3CCC(CC3)[NH2+]CCCN4C=CN=C4

Isomeric SMILES

COC(=O)[C@@H]1CCCN1C(=O)CC2=CC=C(C=C2)N3CCC(CC3)[NH2+]CCCN4C=CN=C4

InChI

InChI=1S/C25H35N5O3/c1-33-25(32)23-4-2-14-30(23)24(31)18-20-5-7-22(8-6-20)29-15-9-21(10-16-29)27-11-3-13-28-17-12-26-19-28/h5-8,12,17,19,21,23,27H,2-4,9-11,13-16,18H2,1H3/p+1/t23-/m0/s1