3-[(1S)-1-[4-(phenylmethyl)piperidin-1-ium-1-yl]propyl]aniline

Systemtic Name: 3-[(1S)-1-[4-(phenylmethyl)piperidin-1-ium-1-yl]propyl]aniline Openeye Name: 3-[(1S)-1-(4-benzylpiperidin-1-ium-1-yl)propyl]aniline CAS Name: 3-[(1S)-1-[4-(phenylmethyl)-1-piperidin-1-iumyl]propyl]aniline IUPAC Name: 3-[(1S)-1-(4-benzylpiperidin-1-ium-1-yl)propyl]aniline Traditional Name: [3-[(1S)-1-(4-benzylpiperidin-1-ium-1-yl)propyl]phenyl]amine Formula: C21H29N2+ MolecularWeight: 309.46836

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC(=CC=C1)N)[NH+]2CCC(CC2)CC3=CC=CC=C3

Isomeric SMILES

CC[C@@H](C1=CC(=CC=C1)N)[NH+]2CCC(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C21H28N2/c1-2-21(19-9-6-10-20(22)16-19)23-13-11-18(12-14-23)15-17-7-4-3-5-8-17/h3-10,16,18,21H,2,11-15,22H2,1H3/p+1/t21-/m0/s1