[1-[4-[(3S)-3-oxidanylpiperidin-1-yl]carbonylphenyl]piperidin-4-yl]-(3-propan-2-yloxypropyl)azanium

Systemtic Name: [1-[4-[(3S)-3-oxidanylpiperidin-1-yl]carbonylphenyl]piperidin-4-yl]-(3-propan-2-yloxypropyl)azanium Openeye Name: [1-[4-[(3S)-3-hydroxypiperidine-1-carbonyl]phenyl]-4-piperidyl]-(3-isopropoxypropyl)ammonium CAS Name: [1-[4-[[(3S)-3-hydroxy-1-piperidinyl]-oxomethyl]phenyl]-4-piperidinyl]-(3-propan-2-yloxypropyl)ammonium IUPAC Name: [1-[4-[(3S)-3-hydroxypiperidine-1-carbonyl]phenyl]piperidin-4-yl]-(3-propan-2-yloxypropyl)azanium Traditional Name: [1-[4-[(3S)-3-hydroxypiperidine-1-carbonyl]phenyl]-4-piperidyl]-(3-isopropoxypropyl)ammonium Formula: C23H38N3O3+ MolecularWeight: 404.56612

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OCCC[NH2+]C1CCN(CC1)C2=CC=C(C=C2)C(=O)N3CCCC(C3)O

Isomeric SMILES

CC(C)OCCC[NH2+]C1CCN(CC1)C2=CC=C(C=C2)C(=O)N3CCC[C@@H](C3)O

InChI

InChI=1S/C23H37N3O3/c1-18(2)29-16-4-12-24-20-10-14-25(15-11-20)21-8-6-19(7-9-21)23(28)26-13-3-5-22(27)17-26/h6-9,18,20,22,24,27H,3-5,10-17H2,1-2H3/p+1/t22-/m0/s1