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

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

Systemtic Name:4-[(1S)-1-[4-(phenylmethyl)piperidin-1-ium-1-yl]propyl]aniline
Openeye Name:4-[(1S)-1-(4-benzylpiperidin-1-ium-1-yl)propyl]aniline
CAS Name:4-[(1S)-1-[4-(phenylmethyl)-1-piperidin-1-iumyl]propyl]aniline
IUPAC Name:4-[(1S)-1-(4-benzylpiperidin-1-ium-1-yl)propyl]aniline
Traditional Name:[4-[(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=C(C=C1)N)[NH+]2CCC(CC2)CC3=CC=CC=C3


Isomeric SMILES

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


InChI

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


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