2-[3-[4-(phenylmethyl)piperidin-1-ium-1-yl]propyl]aniline

Systemtic Name: 2-[3-[4-(phenylmethyl)piperidin-1-ium-1-yl]propyl]aniline Openeye Name: 2-[3-(4-benzylpiperidin-1-ium-1-yl)propyl]aniline CAS Name: 2-[3-[4-(phenylmethyl)-1-piperidin-1-iumyl]propyl]aniline IUPAC Name: 2-[3-(4-benzylpiperidin-1-ium-1-yl)propyl]aniline Traditional Name: [2-[3-(4-benzylpiperidin-1-ium-1-yl)propyl]phenyl]amine Formula: C21H29N2+ MolecularWeight: 309.46836

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1CC2=CC=CC=C2)CCCC3=CC=CC=C3N

Isomeric SMILES

C1C[NH+](CCC1CC2=CC=CC=C2)CCCC3=CC=CC=C3N

InChI

InChI=1S/C21H28N2/c22-21-11-5-4-9-20(21)10-6-14-23-15-12-19(13-16-23)17-18-7-2-1-3-8-18/h1-5,7-9,11,19H,6,10,12-17,22H2/p+1