methyl-phenethyl-[(3S)-1-[(1-pyridin-2-ylpyrrol-2-yl)methyl]piperidin-3-yl]azanium

Systemtic Name: methyl-phenethyl-[(3S)-1-[(1-pyridin-2-ylpyrrol-2-yl)methyl]piperidin-3-yl]azanium Openeye Name: methyl-phenethyl-[(3S)-1-[[1-(2-pyridyl)pyrrol-2-yl]methyl]-3-piperidyl]ammonium CAS Name: methyl-phenethyl-[(3S)-1-[[1-(2-pyridinyl)-2-pyrrolyl]methyl]-3-piperidinyl]ammonium IUPAC Name: methyl-phenethyl-[(3S)-1-[(1-pyridin-2-ylpyrrol-2-yl)methyl]piperidin-3-yl]azanium Traditional Name: methyl-phenethyl-[(3S)-1-[[1-(2-pyridyl)pyrrol-2-yl]methyl]-3-piperidyl]ammonium Formula: C24H31N4+ MolecularWeight: 375.52974

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCC1=CC=CC=C1)C2CCCN(C2)CC3=CC=CN3C4=CC=CC=N4

Isomeric SMILES

C[NH+](CCC1=CC=CC=C1)[C@H]2CCCN(C2)CC3=CC=CN3C4=CC=CC=N4

InChI

InChI=1S/C24H30N4/c1-26(18-14-21-9-3-2-4-10-21)22-11-7-16-27(19-22)20-23-12-8-17-28(23)24-13-5-6-15-25-24/h2-6,8-10,12-13,15,17,22H,7,11,14,16,18-20H2,1H3/p+1/t22-/m0/s1