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

Systemtic Name: 3-[3-[4-(phenylmethyl)piperidin-1-ium-1-yl]propyl]aniline Openeye Name: 3-[3-(4-benzylpiperidin-1-ium-1-yl)propyl]aniline CAS Name: 3-[3-[4-(phenylmethyl)-1-piperidin-1-iumyl]propyl]aniline IUPAC Name: 3-[3-(4-benzylpiperidin-1-ium-1-yl)propyl]aniline Traditional Name: [3-[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=C3)N

Isomeric SMILES

C1C[NH+](CCC1CC2=CC=CC=C2)CCCC3=CC(=CC=C3)N

InChI

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